N-[(E)-[4-[(2S)-butan-2-yl]oxy-3-chlorophenyl]methylideneamino]-2-(2-chlorophenoxy)acetamide

C19H20Cl2N2O3 — CID 126019698

IUPACN-[(E)-[4-[(2S)-butan-2-yl]oxy-3-chlorophenyl]methylideneamino]-2-(2-chlorophenoxy)acetamide
SMILESCC[C@H](C)Oc1ccc(/C=N/NC(=O)COc2ccccc2Cl)cc1Cl
InChIInChI=1S/C19H20Cl2N2O3/c1-3-13(2)26-18-9-8-14(10-16(18)21)11-22-23-19(24)12-25-17-7-5-4-6-15(17)20/h4-11,13H,3,12H2,1-2H3,(H,23,24)/b22-11+/t13-/m0/s1
InChIKeyMMYVJKCEBJHMNU-YSRRJJCPSA-N
MW395.29 g/mol
LogP4.70
Rot. Bonds8

About N-[(E)-[4-[(2S)-butan-2-yl]oxy-3-chlorophenyl]methylideneamino]-2-(2-chlorophenoxy)acetamide

N-[(E)-[4-[(2S)-butan-2-yl]oxy-3-chlorophenyl]methylideneamino]-2-(2-chlorophenoxy)acetamide (PubChem CID 126019698) has the molecular formula C19H20Cl2N2O3 and a molecular weight of 395.29 g/mol. Its IUPAC name is N-[(E)-[4-[(2S)-butan-2-yl]oxy-3-chlorophenyl]methylideneamino]-2-(2-chlorophenoxy)acetamide.

Molecular Properties

Compound NameN-[(E)-[4-[(2S)-butan-2-yl]oxy-3-chlorophenyl]methylideneamino]-2-(2-chlorophenoxy)acetamide
PubChem CID126019698
Molecular FormulaC19H20Cl2N2O3
Molecular Weight395.29 g/mol
Exact Mass394.09
IUPAC NameN-[(E)-[4-[(2S)-butan-2-yl]oxy-3-chlorophenyl]methylideneamino]-2-(2-chlorophenoxy)acetamide
SMILESCC[C@H](C)Oc1ccc(/C=N/NC(=O)COc2ccccc2Cl)cc1Cl
InChIInChI=1S/C19H20Cl2N2O3/c1-3-13(2)26-18-9-8-14(10-16(18)21)11-22-23-19(24)12-25-17-7-5-4-6-15(17)20/h4-11,13H,3,12H2,1-2H3,(H,23,24)/b22-11+/t13-/m0/s1
InChIKeyMMYVJKCEBJHMNU-YSRRJJCPSA-N
XLogP4.70
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.29
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-[4-[(2R)-butan-2-yl]oxy-3-chlorophenyl]methylideneamino]-2-(2-methoxyphenoxy)acetamide
CID 126018731
N-[(E)-[4-[(2S)-butan-2-yl]oxy-3-chlorophenyl]methylideneamino]-2-naphthalen-1-yloxyacetamide
CID 126027372
N-[(E)-[4-[(2R)-butan-2-yl]oxy-3-chlorophenyl]methylideneamino]-2-(3-chlorophenoxy)acetamide
CID 126021013
1-[(E)-[4-[(2S)-butan-2-yl]oxy-3-chlorophenyl]methylideneamino]-3-phenylurea
CID 126015956
2-[2-chloro-4-[[[2-(2-methoxyphenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetamide
CID 5133040
2-(2-chlorophenoxy)-N-[(Z)-(3-fluoro-4-methoxyphenyl)methylideneamino]acetamide
CID 8979030
2-(2-chlorophenoxy)-N-[(3-methylphenyl)methylideneamino]acetamide
CID 905230
N-[(2S)-butan-2-yl]-N'-[(Z)-[3-chloro-4-[2-(2-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
CID 126262277
2-(2-chlorophenoxy)-N-[(Z)-(4-methylsulfanylphenyl)methylideneamino]acetamide
CID 5426500
N-[(Z)-(3-chloro-4-methoxyphenyl)methylideneamino]-2-(2,4-dichlorophenoxy)acetamide
CID 7332440
2-[4-[(E)-[[2-(2-chlorophenoxy)acetyl]hydrazinylidene]methyl]-2-ethoxyphenoxy]-N-(4-methylphenyl)acetamide
CID 126020298
[4-[[[2-(2-chlorophenoxy)acetyl]hydrazinylidene]methyl]-2-methoxyphenyl] benzoate
CID 3427707

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[4-[(2S)-butan-2-yl]oxy-3-chlorophenyl]methylideneamino]-2-(2-chlorophenoxy)acetamide?
The IUPAC name of N-[(E)-[4-[(2S)-butan-2-yl]oxy-3-chlorophenyl]methylideneamino]-2-(2-chlorophenoxy)acetamide (CID 126019698) is N-[(E)-[4-[(2S)-butan-2-yl]oxy-3-chlorophenyl]methylideneamino]-2-(2-chlorophenoxy)acetamide.
What is the SMILES notation for N-[(E)-[4-[(2S)-butan-2-yl]oxy-3-chlorophenyl]methylideneamino]-2-(2-chlorophenoxy)acetamide?
The canonical SMILES for N-[(E)-[4-[(2S)-butan-2-yl]oxy-3-chlorophenyl]methylideneamino]-2-(2-chlorophenoxy)acetamide is CC[C@H](C)Oc1ccc(/C=N/NC(=O)COc2ccccc2Cl)cc1Cl.
What is the InChIKey of N-[(E)-[4-[(2S)-butan-2-yl]oxy-3-chlorophenyl]methylideneamino]-2-(2-chlorophenoxy)acetamide?
The InChIKey is MMYVJKCEBJHMNU-YSRRJJCPSA-N. The full InChI is InChI=1S/C19H20Cl2N2O3/c1-3-13(2)26-18-9-8-14(10-16(18)21)11-22-23-19(24)12-25-17-7-5-4-6-15(17)20/h4-11,13H,3,12H2,1-2H3,(H,23,24)/b22-11+/t13-/m0/s1.
What are the key properties of N-[(E)-[4-[(2S)-butan-2-yl]oxy-3-chlorophenyl]methylideneamino]-2-(2-chlorophenoxy)acetamide?
N-[(E)-[4-[(2S)-butan-2-yl]oxy-3-chlorophenyl]methylideneamino]-2-(2-chlorophenoxy)acetamide has a molecular weight of 395.29 g/mol, XLogP of 4.70, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[4-[(2S)-butan-2-yl]oxy-3-chlorophenyl]methylideneamino]-2-(2-chlorophenoxy)acetamide is sourced from PubChem (CID 126019698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).